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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2S)-N-[(3R)-1,1-dioxothian-3-yl]piperidine-2-carboxamide (2S)-N-[(3R)-1,1-dioxothian-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.11 0.44 -48.78 3 5 1 80 261.367 2 ↓
Mid Mid (pH 6-8) -0.11 -0.94 -16.96 2 5 0 75 260.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothian-3-yl]piperidine-2-carboxamide (2R)-N-[(3R)-1,1-dioxothian-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.11 0.44 -49.15 3 5 1 80 261.367 2 ↓
Mid Mid (pH 6-8) -0.11 -0.89 -17.63 2 5 0 75 260.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothian-3-yl]piperidine-2-carboxamide (2S)-N-[(3S)-1,1-dioxothian-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.11 0.44 -49.16 3 5 1 80 261.367 2 ↓
Mid Mid (pH 6-8) -0.11 -0.94 -16.56 2 5 0 75 260.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothian-3-yl]piperidine-2-carboxamide (2R)-N-[(3S)-1,1-dioxothian-3-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.11 0.44 -48.76 3 5 1 80 261.367 2 ↓
Mid Mid (pH 6-8) -0.11 -0.89 -17.4 2 5 0 75 260.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methyl-piperidine-2-carboxamide (2S,3R)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 0.54 -52.89 3 5 1 80 275.394 2 ↓
Mid Mid (pH 6-8) 0.13 -0.07 -15.8 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[(3R)-1,1-dioxothian-3-yl]-3-methyl-piperidine-2-carboxamide (2S,3S)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 1.41 -48.6 3 5 1 80 275.394 2 ↓
Mid Mid (pH 6-8) 0.13 0.13 -16.77 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methyl-piperidine-2-carboxamide (2R,3R)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 1.41 -49.89 3 5 1 80 275.394 2 ↓
Mid Mid (pH 6-8) 0.13 0.16 -17.53 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-N-[(3R)-1,1-dioxothian-3-yl]-3-methyl-piperidine-2-carboxamide (2R,3S)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 0.55 -55.43 3 5 1 80 275.394 2 ↓
Mid Mid (pH 6-8) 0.13 -0.08 -16.77 2 5 0 75 274.386 2 ↓

Analogs

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Popular Name: (2R,6R)-N-[(3R)-1,1-dioxothian-3-yl]-6-methyl-piperidine-2-carboxamide (2R,6R)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.22 1.15 -47.51 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.14 -17.48 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-N-[(3R)-1,1-dioxothian-3-yl]-6-methyl-piperidine-2-carboxamide (2R,6S)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.22 0.83 -50.1 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.35 -17.59 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-[(3R)-1,1-dioxothian-3-yl]-6-methyl-piperidine-2-carboxamide (2S,6R)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.22 0.85 -49.49 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.36 -16.32 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-[(3R)-1,1-dioxothian-3-yl]-6-methyl-piperidine-2-carboxamide (2S,6S)-N-[(3R)-1,1-dioxothian-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.22 1.14 -47.13 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.18 -16.92 2 5 0 75 274.386 2 ↓

Parameters Provided:

ring.id = 290100
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 290100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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